Vitas-M small molecule compound
prop-2-en-1-yl 4-[4-(benzyloxy)-3-methoxyphenyl]-6-({2-[(3-chloro-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)-5-cyano-2-methyl-1,4-dihydropyridine-3-carboxylate
Catalog ID
STK546423
SMILES C=CCOC(=O)C1=C(C)NC(=C(C1c1ccc(c(c1)OC)OCc1ccccc1)C#N)SCC(=O)Nc1cc(C)cc(c1)Cl
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C34H32ClN3O5S MW 630.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H32ClN3O5S/c1-5-13-42-34(40)31-22(3)37-33(44-20-30(39)38-26-15-21(2)14-25(35)17-26)27(18-36)32(31)24-11-12-28(29(16-24)41-4)43-19-23-9-7-6-8-10-23/h5-12,14-17,32,37H,1,13,19-20H2,2-4H3,(H,38,39)InChIKey
GYLCDASZTXWWJW-UHFFFAOYSA-NSynonyms
allyl4(4(benzyloxy)3methoxyphenyl)6((2((3chloro5methylphenyl)amino)2oxoethyl)thio)5cyano2methyl14dihydropyridine3carboxylate
CC1=CC(=CC(=C1)Cl)NC(=O)CSC2=C(C(C(=C(N2)C)C(=O)OCC=C)C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC)C#N
InChI=1SC34H32ClN3O5Sc15134234(40)3122(3)3733(442030(39)38261521(2)1425(35)1726)27(1836)32(31)24111228(29(1624)414)43192397681023h51214173237H1131920H224H3(H3839)
MFCD03662441
prop2en1yl4(4(benzyloxy)3methoxyphenyl)6((2((3chloro5methylphenyl)amino)2oxoethyl)sulfanyl)5cyano2methyl14dihydropyridine3carboxylate
PROP2ENYL6(2(3CHLORO5METHYLANILINO)2OXOETHYL)SULFANYL5CYANO4(3METHOXY4PHENYLMETHOXYPHENYL)2METHYL14DIHYDROPYRIDINE3CARBOXYLATE
ZINC000101273168
ZINC000101273169
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